Cas no 130774-30-0 (Kaur-1-en-3-one,16,17-dihydroxy-, (16a)- (9CI))

Kaur-1-en-3-one,16,17-dihydroxy-, (16a)- (9CI) structure
130774-30-0 structure
Product Name:Kaur-1-en-3-one,16,17-dihydroxy-, (16a)- (9CI)
CAS No:130774-30-0
MF:C20H30O3
MW:318.450406551361
CID:205525
Update Time:2024-03-01

Kaur-1-en-3-one,16,17-dihydroxy-, (16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Kaur-1-en-3-one,16,17-dihydroxy-, (16a)- (9CI)
    • (-)-Anomaluone
    • 7H-2,10a-Ethanophenanthrene,kaur-1-en-3-one deriv.
    • Anomaluone
    • Kaur-1-en-3-one, 16,17-dihydroxy-, (16α)-
    • Inchi： 1S/C20H30O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h7-8,13-15,21,23H,4-6,9-12H2,1-3H3/t13-,14-,15+,18-,19+,20+/m1/s1
    • InChI Key： JZXWITIZXDCGSC-IPWGKGBGSA-N
    • SMILES： C(O)[C@]1(O)[C@@H]2CC[C@]3([C@@]4(C)[C@@](CC[C@]3(C2)C1)([H])[C@](C)(C)C(=O)C=C4)[H]

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.17±0.1 g/cm3(Predicted)
  • Boiling Point: 467.8±45.0 °C(Predicted)
  • PSA: 52.54
  • pka: 14.43±0.60(Predicted)

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